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Cu(C lO4)2.6H2O与邻菲罗啉(Phen)和3-硝基苯甲酸(N ba)在水与乙醇的混合溶液中反应生成了标题化合物[Cu(Phen)3](C lO4)2.(N ba).H2O(1).X-射线单晶衍射分析结果表明,标题化合物1分子式为:C43H31C l2CuN7O13,Mr=988.21,属三斜晶系,P-1空间群,晶胞参数:a=0.937 78(5)nm,b=1.224 92(7)nm,c=1.832 80(10)nm,α=96.063(1),°β=91.311(1),°γ=111.469(1),°V=1.944 0(2)nm3,Z=1,Dc=1.583 M g/m3,μ=0.775 mm-1,F(000)=945,R1=0.071 0,wR2=0.204 2(I>2σ(I)),S=1.056.化合物1由配离子[Cu(Phen)3]2+,2个C lO4-抗阴离子,1个共结晶的3-硝基苯甲酸分子和1个水分子组成.中心铜(Ⅱ)离子采用六配位的八面体几何构型,3个邻菲罗啉分别通过2个N原子与Cu(Ⅱ)螯合形成3个稳定的五圆环.化合物1通过分子间氢键作用形成二维的超分子结构.
Reaction of Cu (C104) 2.6H2O with phenanthroline and 3-nitrobenzoic acid (N ba) in a mixed solution of water and ethanol gave the title compound [Cu (Phen) 3] 2. (N ba) .H2O (1). X-ray diffraction analysis results show that the title compound 1 formula: C43H31C l2CuN7O13, Mr = 988.21, is a triclinic, P-1 space group, unit cell parameters : a = 0.937 78 (5) nm, b = 1.224 92 (7) nm, c = 1.832 80 nm, α = 96.063 1 ° ° β = 91.311 ° γ = , V = 1.944 0 (2) nm3, Z = 1, Dc = 1.583 M g / m3, μ = 0.775 mm -1, F (000) = 945, R1 = 0.071 0, wR2 = 0.204 2 (I> 2σ (I)), S = 1.056. Compound 1 consisted of ion [Cu (Phen) 3] 2 +, two C104-anions, one co- crystallized 3-nitrobenzoic acid molecule and one water molecule The central copper (Ⅱ) ion adopts a hexacoordinated octahedron geometry and three adjacent phenanthrolines chelate with Cu (Ⅱ) via two N atoms to form three stable five rings, respectively. Compound 1 Hydrogen bonding between the formation of two-dimensional supramolecular structure.